1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

C17H16N8O2 — CID 139487944

IUPAC1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCc1ncn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)n1
InChIInChI=1S/C17H16N8O2/c1-10-18-9-25(21-10)15-4-12(11-2-3-11)5-23-6-13(19-16(15)23)7-24-8-14(17(26)27)20-22-24/h4-6,8-9,11H,2-3,7H2,1H3,(H,26,27)
InChIKeyNERICVAVKQPHAK-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.44
Rot. Bonds5

About 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487944) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487944
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCc1ncn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)n1
InChIInChI=1S/C17H16N8O2/c1-10-18-9-25(21-10)15-4-12(11-2-3-11)5-23-6-13(19-16(15)23)7-24-8-14(17(26)27)20-22-24/h4-6,8-9,11H,2-3,7H2,1H3,(H,26,27)
InChIKeyNERICVAVKQPHAK-UHFFFAOYSA-N
XLogP1.44
TPSA116.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487944) is 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is Cc1ncn(-c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)n1.
What is the InChIKey of 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is NERICVAVKQPHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2/c1-10-18-9-25(21-10)15-4-12(11-2-3-11)5-23-6-13(19-16(15)23)7-24-8-14(17(26)27)20-22-24/h4-6,8-9,11H,2-3,7H2,1H3,(H,26,27).
What are the key properties of 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 364.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).